(1,2,2,6,6-pentamethylpiperidin-4-yl)methyl 2-cyanoprop-2-enoate

C15H24N2O2 — CID 141174830

IUPAC(1,2,2,6,6-pentamethylpiperidin-4-yl)methyl 2-cyanoprop-2-enoate
SMILESC=C(C#N)C(=O)OCC1CC(C)(C)N(C)C(C)(C)C1
InChIInChI=1S/C15H24N2O2/c1-11(9-16)13(18)19-10-12-7-14(2,3)17(6)15(4,5)8-12/h12H,1,7-8,10H2,2-6H3
InChIKeyCMRFKMLZYDPAHJ-UHFFFAOYSA-N
MW264.37 g/mol
LogP2.51
Rot. Bonds3

About (1,2,2,6,6-pentamethylpiperidin-4-yl)methyl 2-cyanoprop-2-enoate

(1,2,2,6,6-pentamethylpiperidin-4-yl)methyl 2-cyanoprop-2-enoate (PubChem CID 141174830) has the molecular formula C15H24N2O2 and a molecular weight of 264.37 g/mol. Its IUPAC name is (1,2,2,6,6-pentamethylpiperidin-4-yl)methyl 2-cyanoprop-2-enoate.

Molecular Properties

Compound Name(1,2,2,6,6-pentamethylpiperidin-4-yl)methyl 2-cyanoprop-2-enoate
PubChem CID141174830
Molecular FormulaC15H24N2O2
Molecular Weight264.37 g/mol
Exact Mass264.18
IUPAC Name(1,2,2,6,6-pentamethylpiperidin-4-yl)methyl 2-cyanoprop-2-enoate
SMILESC=C(C#N)C(=O)OCC1CC(C)(C)N(C)C(C)(C)C1
InChIInChI=1S/C15H24N2O2/c1-11(9-16)13(18)19-10-12-7-14(2,3)17(6)15(4,5)8-12/h12H,1,7-8,10H2,2-6H3
InChIKeyCMRFKMLZYDPAHJ-UHFFFAOYSA-N
XLogP2.51
TPSA53.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'conjugated_nitrile_group', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(3-hydroxy-3-methylcyclobutyl)methyl 2-methylprop-2-enoate
CID 156781576
2-trimethylsilylethyl 2-cyanoprop-2-enoate
CID 54203194
2-cyanoprop-2-enyl 2-cyanoprop-2-enoate
CID 89042085
(1-chloro-2,2,6,6-tetramethylpiperidin-4-yl)methyl prop-2-enoate
CID 141256666
bis(1,2,2,6,6-pentamethylpiperidin-4-yl) 2-methylidenebutanedioate
CID 54002279
2-ethylbutyl 2-cyanoprop-2-enoate
CID 5134223
(5,5-dimethyloxolan-3-yl)methyl 2-methylprop-2-enoate
CID 163450308
propanoic acid;propyl 2-cyanoprop-2-enoate
CID 174742074
(1-methyl-7-oxabicyclo[4.1.0]heptan-3-yl)methyl 2-methylprop-2-enoate
CID 59256267
2-(1,2,2,6,6-pentamethylpiperidin-4-yl)ethyl prop-2-eneperoxoate
CID 90284723
4-[(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)methoxy]-4-oxobutanoic acid
CID 151524547
2,2,4,4-tetramethylpentyl 2-cyanoprop-2-enoate
CID 129191043

Frequently Asked Questions

What is the IUPAC name of (1,2,2,6,6-pentamethylpiperidin-4-yl)methyl 2-cyanoprop-2-enoate?
The IUPAC name of (1,2,2,6,6-pentamethylpiperidin-4-yl)methyl 2-cyanoprop-2-enoate (CID 141174830) is (1,2,2,6,6-pentamethylpiperidin-4-yl)methyl 2-cyanoprop-2-enoate.
What is the SMILES notation for (1,2,2,6,6-pentamethylpiperidin-4-yl)methyl 2-cyanoprop-2-enoate?
The canonical SMILES for (1,2,2,6,6-pentamethylpiperidin-4-yl)methyl 2-cyanoprop-2-enoate is C=C(C#N)C(=O)OCC1CC(C)(C)N(C)C(C)(C)C1.
What is the InChIKey of (1,2,2,6,6-pentamethylpiperidin-4-yl)methyl 2-cyanoprop-2-enoate?
The InChIKey is CMRFKMLZYDPAHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2/c1-11(9-16)13(18)19-10-12-7-14(2,3)17(6)15(4,5)8-12/h12H,1,7-8,10H2,2-6H3.
What are the key properties of (1,2,2,6,6-pentamethylpiperidin-4-yl)methyl 2-cyanoprop-2-enoate?
(1,2,2,6,6-pentamethylpiperidin-4-yl)methyl 2-cyanoprop-2-enoate has a molecular weight of 264.37 g/mol, XLogP of 2.51, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1,2,2,6,6-pentamethylpiperidin-4-yl)methyl 2-cyanoprop-2-enoate is sourced from PubChem (CID 141174830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).